4,6-dimethyl-2-(6-pyridin-1-ium-1-ylhexylsulfanyl)pyrimidine bromide

Systemtic Name: 4,6-dimethyl-2-(6-pyridin-1-ium-1-ylhexylsulfanyl)pyrimidine bromide Openeye Name: 4,6-dimethyl-2-(6-pyridin-1-ium-1-ylhexylsulfanyl)pyrimidine bromide CAS Name: 4,6-dimethyl-2-[6-(1-pyridin-1-iumyl)hexylthio]pyrimidine bromide IUPAC Name: 4,6-dimethyl-2-(6-pyridin-1-ium-1-ylhexylsulfanyl)pyrimidine bromide Traditional Name: 4,6-dimethyl-2-(6-pyridin-1-ium-1-ylhexylthio)pyrimidine bromide Formula: C17H24BrN3S MolecularWeight: 382.36156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCCCCC[N+]2=CC=CC=C2)C.[Br-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCCCCCC[N+]2=CC=CC=C2)C.[Br-]

InChI

InChI=1S/C17H24N3S.BrH/c1-15-14-16(2)19-17(18-15)21-13-9-4-3-6-10-20-11-7-5-8-12-20;/h5,7-8,11-12,14H,3-4,6,9-10,13H2,1-2H3;1H/q+1;/p-1